| SpectraBase Compound ID | 1RdRfxtnnVd |
|---|---|
| InChI | InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2H,3,5H2,1H3 |
| InChIKey | KSJAIMUFADDAOP-UHFFFAOYSA-N |
| Mol Weight | 96.13 g/mol |
| Molecular Formula | C6H8O |
| Exact Mass | 96.057515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4ZRw0eOfjLO |
|---|---|
| Name | Hexyn-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.057514877 u |
| Formula | C6H8O |
| InChI | InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2H,3,5H2,1H3 |
| InChIKey | KSJAIMUFADDAOP-UHFFFAOYSA-N |
| Molecular Weight | 96.129 g/mol |
| SMILES | C#CC(=O)CCC |